N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-methoxy-1H-indole-2-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-methoxy-1H-indole-2-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-methoxy-1H-indole-2-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-5-methoxy-1H-indole-2-carboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-methoxy-1H-indole-2-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-5-methoxy-1H-indole-2-carboxamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3CCC[NH+](C3)CC4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)N[C@H]3CCC[NH+](C3)CC4CCCCC4

InChI

InChI=1S/C22H31N3O2/c1-27-19-9-10-20-17(12-19)13-21(24-20)22(26)23-18-8-5-11-25(15-18)14-16-6-3-2-4-7-16/h9-10,12-13,16,18,24H,2-8,11,14-15H2,1H3,(H,23,26)/p+1/t18-/m0/s1